Torsional Properties of Boron Nitride Nanocones with Different Cone Heights, Disclination Angles and Simulation Temperatures

Abstract

The torsional properties of single-walled boron nitride (BN) nanocones at different cone heights, disclination angles and simulation temperatures have been investigated using molecular dynamics (MD) simulation. The simulation results indicate that the torque and average potential energy decrease with the increasing cone height and disclination angle, and the failure torsion angle increases with the increasing cone height and disclination angle. For different simulation temperatures, the torsional behavior of BN nanocones at higher simulation temperature is more serious and earlier to reach a failure point, the maximum torque and average potential energy of the system decrease with the increasing simulation temperature. For different loading rates, the failure torsion angle decreases with the increasing loading rate, so the fracture of BN nanocone occurred earlier with higher loading rate. Therefore, the cone height, disclination angle, simulation temperature and loading rate are considered to be four main influencing factors for the torsional properties of the BN nanocones.